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|XLR11 4-pentenyl analogue
Names: XLR11 4-pentenyl analogue (primary)
[1-(Pent-4-en-1-yl)-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone (IUPAC)
Molecular formula: C21H27NO
Nominal mass: 309
Average mass: 309.4452
Monoisotopic mass: 309.209265
CAS registry number:
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Standard InChI: InChI=1S/C21H27NO/c1-6-7-10-13-22-14-16(15-11-8-9-12-17(15)22)18(23)19-20(2,3)21(19,4)5/h6,8-9,11-12,14,19H,1,7,10,13H2,2-5H3
Standard InChI key: NXTLUQFOTQPMOD-UHFFFAOYSA-N
SMILES: C=CCCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C
Tags: cannabinoid
 
Property Value Remarks
Property Value Remarks
Location Type Remarks
11688-0437919-GCMS.pdf EI MS Agilent 5973 MSD
XLR-11 4-pentenyl analog.pdf EI MS RTI
11688-0437919-IR.pdf FTIR PE Spectrum 65
XLR11 N-(4-fluoropentyl) isomer edit.pdf SP-GC-IR DiscovIR
Vendor ID URL
Cayman Chemical 11688 http://www.caymanchem.com/app/template/Product.vm/catalog/11688
Title Publication Date Vol. Iss. Page(s) Remarks
A new pyrazole-carboxamide type synthetic cannabinoid AB-CHFUPYCA [N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide] identified in illegal product Forensic Toxicology 2015-07-01 Vol 33 (367-373) Nahoko Uchiyama et al
Consideration of the major cannabinoid agonists 2009-07-00 Advisory Council on the Misuse of Drugs
Understanding the Spice phenomenon 2009-00-00 European Monitoring Centre for Drugs and Drug Addiction
Further consideration of the synthetic cannabinoids 2012-10-18 Advisory Council on the Misuse of Drugs
GC–MS and FTIR evaluation of the six benzoyl-substituted-1-pentylindoles: Isomeric synthetic cannabinoids Talanta 2014-11-01 Vol 129 (171-182) Forrest T. Smitha et al
Detection and identification of the new potential synthetic cannabinoids 1-pentyl-3-(2-iodobenzoyl)indole and 1-pentyl-3-(1-adamantoyl)indole in seized bulk powders in Hungary Forensic Science International 2012-01-01 Vol 214 (27-32) Péter Jankovics et al
Synthetic cannabinoids and cathinones: prevalence and markets Forensic Science Review 2013-03-01 Vol 25 (7-26) Bretteville-Jensen et al
Identification and analytical properties of new synthetic cannabimimetics bearing 2,2,3,3-tetramethylcyclopropanecarbonyl moiety Forensic Science International 2013-03-10 Vol 226 (62-73) Vadim Shevyrin et al
Spice, bath salts, and the U.S. military: the emergence of synthetic cannabinoid receptor agonists and cathinones in the U.S. Armed Forces. 2012-09-01 Loeffler G, Hurst D, Penn A, Yung K
Synthetic cannabinoid and marijuana exposures reported to poison centers Hum Exp Toxicol 2012-10-31 (1006-1011) MB Forrester et al
Separation and structural characterization of the synthetic cannabinoids JWH-412 and 1-[(5-fluoropentyl)-1H-indol-3yl]-(4-methylnaphthalen-1-yl)methanone using GC–MS, NMR analysis and a flash chromato Forensic Science International 2012-07-12 Vol 220 (e17-e22) Bjoern Moosmann et al
Cannabinoid chemistry: an overview Cannabinoids as Therapeutics 2005-01-01 (23-46) Lumír O. Hanuš and Raphael Mechoulam
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